Vitas-M small molecule compound
1-(4-benzylpiperazin-1-yl)-2-[(2-chloro-7H-purin-6-yl)sulfanyl]propan-1-one
Catalog ID
STK626183
SMILES O=C(C(Sc1nc(Cl)nc2c1[nH]cn2)C)N1CCN(CC1)Cc1ccccc1
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C19H21ClN6OS MW 416.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21ClN6OS/c1-13(28-17-15-16(22-12-21-15)23-19(20)24-17)18(27)26-9-7-25(8-10-26)11-14-5-3-2-4-6-14/h2-6,12-13H,7-11H2,1H3,(H,21,22,23,24)InChIKey
ZYSCWPLLXBBJBF-UHFFFAOYSA-NSynonyms
929843-92-51(4benzylpiperazin1yl)2((2chloro7Hpurin6yl)sulfanyl)propan1one
1(4benzylpiperazin1yl)2((2chloro9Hpurin6yl)thio)propan1one
929843925
CC(C(=O)N1CCN(CC1)CC2=CC=CC=C2)SC3=NC(=NC4=C3NC=N4)Cl
InChI=1SC19H21ClN6OSc113(28171516(22122115)2319(20)2417)18(27)269725(81026)11145324614h261213H711H21H3(H21222324)
MFCD09793517
O=C(C(Sc1nc(Cl)nc2c1(nH)cn2)C)N1CCN(CC1)Cc1ccccc1
O=C(C(Sc1nc(Cl)nc2c1nc(nH)2)C)N1CCN(CC1)Cc1ccccc1
ZINC000009421364
ZINC000009421365
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